Related papers: Tunable skewed edges in puckered structures
We present a first-principles study of the atomic, electronic, and magnetic properties of two-dimensional (2D), single and bilayer ZnO in honeycomb structure and its armchair and zigzag nanoribbons. In order to reveal the dimensionality…
Thermoelectric properties of finite graphene nanoribbons (GNRs) coupled to metallic electrodes are theoretically studied in the framework of tight-binding model and Green's function approach. When the zigzag sides are coupled to the…
The electronic and magnetic properties of zigzag graphene nanoribbons with asymmetric notches along their edges are investigated by first principle density functional theory calculations. It is found that the electronic and magnetic…
Carbon-based magnetic structures promise significantly longer coherence times than traditional magnetic materials, which is of fundamental importance for spintronic applications. An elegant way of achieving carbon-based magnetic moments is…
There has been tremendous interest in manipulating electron and hole-spin states in low-dimensional structures for electronic and spintronic applications. We study the edge magnetic coupling and anisotropy in zigzag stanene nanoribbons, by…
Transport of the edge-state electrons along zigzag phosphorene nanoribbons in presence of two impurities/vacancies is analytically investigated. Considering the places of the defects, a number of different situations are examined. When both…
We investigate the properties of magnon edge states in a ferromagnetic honeycomb lattice with armchair boundaries. In contrast with fermionic graphene, we find novel edge states due to the missing bonds along the boundary sites. After…
Stacking two-dimensional layered materials such as graphene and transitional metal dichalcogenides with nonzero interlayer twist angles has recently become attractive because of the emergence of novel physical properties. Stacking of…
We present a novel comprehensive first-principles theoretical study of the electronic properties and relative stabilities of edge-oxidized zigzag graphene nanoribbons. The oxidation schemes considered include hydroxyl, carboxyl, ether, and…
We present a first-principles study of bare and hydrogen passivated armchair nanoribbons of the puckered single layer honeycomb structures of silicon and germanium. Our study includes optimization of atomic structure, stability analysis…
The topological phases of graphene with spin-orbit coupling, an exchange field, and a staggered-sublattice potential determine the properties of the edge states of the zigzag nanoribbon. In the presence of the Hubbard interaction, the…
This paper presents a systematic study of two and one dimensional honeycomb structure of boron nitride (BN) using first-principles plane wave method. Two-dimensional (2D) graphene like BN is a wide band gap semiconductor with ionic bonding.…
We study the electronic structure and transport properties of zigzag and armchair monolayer molybdenum disulfide nanoribbons using an 11-band tight-binding model that accurately reproduces the material's bulk band structure near the band…
We present our study on atomic, electronic, magnetic and phonon properties of one dimensional honeycomb structure of molybdenum disulfide (MoS$_2$) using first-principles plane wave method. Calculated phonon frequencies of bare armchair…
An interesting property of zigzag graphene nanoribbons is the presence of edge states which are extended along its borders but localized in the transverse direction. We show that because of this property, electron transport through an…
We study the edge states in graphene in the presence of a magnetic field perpendicular to the plane of the lattice. Most of the works done so far discuss the edge states in either zigzag or armchair edge graphene considering an isotropic…
The coherent electron transport along zigzag and metallic armchair graphene nanoribbons in the presence of one or two vacancies is investigated. Having in mind atomic scale tunability of the conductance fingerprints, the primary focus is on…
An antiferromagnetic insulating state has been found in the zigzag phosphorene nanoribbons (ZPNRs) from a comprehensive density functional theory calculations. Comparing with other one-dimensional systems, the magnetism in ZPNRs display…
Fabrication of atomic scale of metallic wire remains challenging. In present work, a nanoribbon with two parallel symmetric metallic and magnetic edges was designed from semiconductive monolayer PtS2 by employing first-principles…
Systematic ab initio calculations show that the energy gap of boron nitride (BN) nanoribbons (BNNRs) with zigzag or armchair edges can be significantly reduced by a transverse electric field and completely closed at a critical field which…